@MOLECULE (17beta)-17-[(3-aminopropyl)amino]estra-1,3,5(10)-trien-3-ol 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.1296 1.1389 0.4651 O.3 1 UNL1111111111 -0.4769 2 N 3.7226 0.1086 0.3439 N.3 1 UNL1111111111 -0.5653 3 N 8.4872 1.2797 0.4566 N.3 1 UNL1111111111 -0.6459 4 C 1.1954 -0.0236 0.0925 C.3 1 UNL1111111111 0.0434 5 C 0.3175 -1.2055 -0.4157 C.3 1 UNL1111111111 -0.1419 6 C -1.1306 -1.0248 0.0282 C.3 1 UNL1111111111 -0.1154 7 C 2.6010 -0.5183 -0.3804 C.3 1 UNL1111111111 0.0262 8 C -1.6700 0.2622 -0.6518 C.3 1 UNL1111111111 -0.1095 9 C 0.6934 1.2534 -0.5896 C.3 1 UNL1111111111 -0.3001 10 C 1.0858 -2.4509 0.0511 C.3 1 UNL1111111111 -0.2816 11 C 2.5729 -2.0510 -0.0834 C.3 1 UNL1111111111 -0.2857 12 C -0.7961 1.4753 -0.2658 C.3 1 UNL1111111111 -0.2683 13 C -2.0162 -2.2036 -0.3855 C.3 1 UNL1111111111 -0.2786 14 C 1.1765 0.1467 1.6148 C.3 1 UNL1111111111 -0.4481 15 C -3.1247 0.4637 -0.3189 C.ar 1 UNL1111111111 -0.0965 16 C -3.4082 -2.0116 0.2228 C.3 1 UNL1111111111 -0.2873 17 C -3.9319 -0.6149 0.0659 C.ar 1 UNL1111111111 0.0830 18 C 4.9704 0.1050 -0.4533 C.3 1 UNL1111111111 -0.1072 19 C -3.7014 1.7329 -0.4525 C.ar 1 UNL1111111111 -0.0989 20 C -5.2893 -0.4158 0.3414 C.ar 1 UNL1111111111 -0.3478 21 C 6.0852 0.7622 0.3756 C.3 1 UNL1111111111 -0.2956 22 C -5.0452 1.9545 -0.1857 C.ar 1 UNL1111111111 -0.2570 23 C -5.8214 0.8640 0.2146 C.ar 1 UNL1111111111 0.2934 24 C 7.4170 0.7022 -0.3887 C.3 1 UNL1111111111 -0.1023 25 H 0.3333 -1.2026 -1.5357 H 1 UNL1111111111 0.1362 26 H -1.1811 -0.9082 1.1361 H 1 UNL1111111111 0.1489 27 H 2.6862 -0.3589 -1.4833 H 1 UNL1111111111 0.1103 28 H -1.5997 0.1264 -1.7633 H 1 UNL1111111111 0.1463 29 H 0.8334 1.1880 -1.6840 H 1 UNL1111111111 0.1364 30 H 1.2814 2.1283 -0.2609 H 1 UNL1111111111 0.1355 31 H 0.8441 -3.3349 -0.5555 H 1 UNL1111111111 0.1315 32 H 0.8362 -2.7065 1.0933 H 1 UNL1111111111 0.1414 33 H 3.1284 -2.2625 0.8468 H 1 UNL1111111111 0.1601 34 H 3.0746 -2.6120 -0.8819 H 1 UNL1111111111 0.1282 35 H -0.9210 1.6919 0.8117 H 1 UNL1111111111 0.1479 36 H -1.1433 2.3783 -0.8024 H 1 UNL1111111111 0.1357 37 H -1.5775 -3.1588 -0.0446 H 1 UNL1111111111 0.1401 38 H -2.0802 -2.2739 -1.4869 H 1 UNL1111111111 0.1423 39 H 0.1575 0.1856 2.0136 H 1 UNL1111111111 0.1476 40 H 1.6955 -0.6831 2.1127 H 1 UNL1111111111 0.1604 41 H 1.6817 1.0678 1.9233 H 1 UNL1111111111 0.1409 42 H 3.4875 1.0484 0.6536 H 1 UNL1111111111 0.2594 43 H -3.3785 -2.2608 1.3066 H 1 UNL1111111111 0.1557 44 H -4.1145 -2.7381 -0.2299 H 1 UNL1111111111 0.1505 45 H 5.2310 -0.9554 -0.6693 H 1 UNL1111111111 0.1424 46 H 4.8594 0.6203 -1.4314 H 1 UNL1111111111 0.1064 47 H -3.0893 2.5754 -0.7780 H 1 UNL1111111111 0.1529 48 H -5.9144 -1.2467 0.6465 H 1 UNL1111111111 0.1594 49 H 6.1878 0.2403 1.3510 H 1 UNL1111111111 0.1751 50 H 5.8247 1.8051 0.6261 H 1 UNL1111111111 0.1365 51 H -5.4948 2.9380 -0.2825 H 1 UNL1111111111 0.1741 52 H 7.3216 1.2118 -1.3710 H 1 UNL1111111111 0.1038 53 H 7.6891 -0.3578 -0.5943 H 1 UNL1111111111 0.1422 54 H -7.6314 0.3368 0.7432 H 1 UNL1111111111 0.3247 55 H 8.2780 2.2231 0.7360 H 1 UNL1111111111 0.2456 56 H 9.3781 1.2677 -0.0100 H 1 UNL1111111111 0.2458 @BOND 1 1 23 1 2 1 54 1 3 2 7 1 4 2 18 1 5 2 42 1 6 3 24 1 7 3 55 1 8 3 56 1 9 4 5 1 10 4 7 1 11 4 9 1 12 4 14 1 13 5 6 1 14 5 10 1 15 5 25 1 16 6 8 1 17 6 13 1 18 6 26 1 19 7 11 1 20 7 27 1 21 8 12 1 22 8 15 1 23 8 28 1 24 9 12 1 25 9 29 1 26 9 30 1 27 10 11 1 28 10 31 1 29 10 32 1 30 11 33 1 31 11 34 1 32 12 35 1 33 12 36 1 34 13 16 1 35 13 37 1 36 13 38 1 37 14 39 1 38 14 40 1 39 14 41 1 40 15 17 ar 41 15 19 ar 42 16 17 1 43 16 43 1 44 16 44 1 45 17 20 ar 46 18 21 1 47 18 45 1 48 18 46 1 49 19 22 ar 50 19 47 1 51 20 23 ar 52 20 48 1 53 21 24 1 54 21 49 1 55 21 50 1 56 22 23 ar 57 22 51 1 58 24 52 1 59 24 53 1